[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5/c1-23(2)18-11-10-15(12-19(18)24(27)28)21(26)29-13-20(25)22-17-9-5-7-14-6-3-4-8-16(14)17/h3-12H,13H2,1-2H3,(H,22,25)