[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 3-oxidanylnaphthalene-2-carboxylate

Systemtic Name: [2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 3-oxidanylnaphthalene-2-carboxylate Openeye Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl] 3-hydroxynaphthalene-2-carboxylate CAS Name: 3-hydroxy-2-naphthalenecarboxylic acid [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate Traditional Name: 3-hydroxynaphthalene-2-carboxylic acid [2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl] ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C(=CC2=C1)C(=O)OCC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)OCC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H19N3O6/c25-19-12-15-4-2-1-3-14(15)11-18(19)21(27)30-13-20(26)23-10-9-22-16-5-7-17(8-6-16)24(28)29/h1-8,11-12,22,25H,9-10,13H2,(H,23,26)