2-[(E)-[10,13-dimethyl-3,17-bis(oxidanylidene)-2,6,7,8,9,11,12,14-octahydro-1H-cyclopenta[a]phenanthren-15-ylidene]amino]oxyethanoic acid

Systemtic Name: 2-[(E)-[10,13-dimethyl-3,17-bis(oxidanylidene)-2,6,7,8,9,11,12,14-octahydro-1H-cyclopenta[a]phenanthren-15-ylidene]amino]oxyethanoic acid Openeye Name: 2-[(E)-(10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14-octahydro-1H-cyclopenta[a]phenanthren-15-ylidene)amino]oxyacetic acid CAS Name: 2-[(E)-(10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14-octahydro-1H-cyclopenta[a]phenanthren-15-ylidene)amino]oxyacetic acid IUPAC Name: 2-[(E)-(10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14-octahydro-1H-cyclopenta[a]phenanthren-15-ylidene)amino]oxyacetic acid Traditional Name: 2-[(E)-(3,17-diketo-10,13-dimethyl-2,6,7,8,9,11,12,14-octahydro-1H-cyclopenta[a]phenanthren-15-ylidene)amino]oxyacetic acid Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1CCC3C2CCC4(C3C(=NOCC(=O)O)CC4=O)C

Isomeric SMILES

CC12CCC(=O)C=C1CCC3C2CCC4(C3/C(=N/OCC(=O)O)/CC4=O)C

InChI

InChI=1S/C21H27NO5/c1-20-7-5-13(23)9-12(20)3-4-14-15(20)6-8-21(2)17(24)10-16(19(14)21)22-27-11-18(25)26/h9,14-15,19H,3-8,10-11H2,1-2H3,(H,25,26)/b22-16+