[1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [1-methyl-2-(1-naphthylamino)-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [1-(1-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-keto-1-methyl-2-(1-naphthylamino)ethyl] ester Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=CC=CC=C21)OC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=CC=CC=C21)OC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O5/c1-14(22(27)25-19-8-4-6-15-5-2-3-7-18(15)19)31-23(28)16-9-12-20(24-17-10-11-17)21(13-16)26(29)30/h2-9,12-14,17,24H,10-11H2,1H3,(H,25,27)