[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-azanylnaphthalene-2-carboxylate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-azanylnaphthalene-2-carboxylate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] 3-aminonaphthalene-2-carboxylate CAS Name: 3-amino-2-naphthalenecarboxylic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 3-aminonaphthalene-2-carboxylate Traditional Name: 3-aminonaphthalene-2-carboxylic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2N

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2N

InChI

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