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

Systemtic Name: [1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [1-methyl-2-(2-naphthylamino)-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [1-(2-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-keto-1-methyl-2-(2-naphthylamino)ethyl] ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)OC(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)OC(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5/c1-13(20(25)23-17-9-7-14-5-3-4-6-15(14)11-17)29-21(26)16-8-10-18(22-2)19(12-16)24(27)28/h3-13,22H,1-2H3,(H,23,25)