[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-[[2-chloroethyl(nitroso)carbamoyl]amino]ethanoate

Systemtic Name: [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-[[2-chloroethyl(nitroso)carbamoyl]amino]ethanoate Openeye Name: [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-[[2-chloroethyl(nitroso)carbamoyl]amino]acetate CAS Name: 2-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]acetic acid [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-[[2-chloroethyl(nitroso)carbamoyl]amino]acetate Traditional Name: 2-[[2-chloroethyl(nitroso)carbamoyl]amino]acetic acid [(8R,9S,10R,13S,14S,17S)-3-keto-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester Formula: C23H32ClN3O5 MolecularWeight: 465.97028

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2OC(=O)CNC(=O)N(CCCl)N=O)CCC4=CC(=O)CCC34

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CNC(=O)N(CCCl)N=O)CCC4=CC(=O)CC[C@H]34

InChI

InChI=1S/C23H32ClN3O5/c1-23-9-8-17-16-5-3-15(28)12-14(16)2-4-18(17)19(23)6-7-20(23)32-21(29)13-25-22(30)27(26-31)11-10-24/h12,16-20H,2-11,13H2,1H3,(H,25,30)/t16-,17+,18+,19-,20-,23-/m0/s1