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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

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