[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(2-naphthylamino)-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-(2-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-2-ylamino)-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-keto-2-(2-naphthylamino)ethyl] ester Formula: C20H17N3O5 MolecularWeight: 379.36608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC3=CC=CC=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC3=CC=CC=C3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5/c1-21-17-9-7-15(11-18(17)23(26)27)20(25)28-12-19(24)22-16-8-6-13-4-2-3-5-14(13)10-16/h2-11,21H,12H2,1H3,(H,22,24)