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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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