[(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: [(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: [(1R)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid [(1R)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)OC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-15(21(26)24-18-9-5-6-10-18)30-22(27)17-11-12-19(20(13-17)25(28)29)23-14-16-7-3-2-4-8-16/h2-4,7-8,11-13,15,18,23H,5-6,9-10,14H2,1H3,(H,24,26)/t15-/m1/s1