[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5/c1-14(2)22(12-15-7-5-4-6-8-15)19(24)13-28-20(25)16-9-10-17(21-3)18(11-16)23(26)27/h4-11,14,21H,12-13H2,1-3H3