[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O5/c25-20(23-16-8-4-5-9-16)14-29-21(26)18-12-17(24(27)28)10-11-19(18)22-13-15-6-2-1-3-7-15/h1-3,6-7,10-12,16,22H,4-5,8-9,13-14H2,(H,23,25)