[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 2-[4-(methylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]benzoic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 2-[4-(methylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(methylamino)-3-nitro-benzoyl]benzoic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O6/c1-23-18-11-10-14(12-19(18)25(29)30)21(27)16-8-4-5-9-17(16)22(28)31-13-20(26)24-15-6-2-3-7-15/h4-5,8-12,15,23H,2-3,6-7,13H2,1H3,(H,24,26)