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

Systemtic Name: [2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-(1-naphthylamino)-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-(1-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-keto-2-(1-naphthylamino)ethyl] ester Formula: C22H19N3O5 MolecularWeight: 405.40336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O5/c26-21(24-18-7-3-5-14-4-1-2-6-17(14)18)13-30-22(27)15-8-11-19(23-16-9-10-16)20(12-15)25(28)29/h1-8,11-12,16,23H,9-10,13H2,(H,24,26)