[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-[benzyl(methyl)amino]-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-[methyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(methyl)amino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-[benzyl(methyl)amino]-2-keto-ethyl] ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-22(12-14-5-3-2-4-6-14)19(24)13-28-20(25)15-7-10-17(21-16-8-9-16)18(11-15)23(26)27/h2-7,10-11,16,21H,8-9,12-13H2,1H3