methyl 4-[[1-[(3-nitrophenyl)methyl]-6-oxidanylidene-pyridin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[1-[(3-nitrophenyl)methyl]-6-oxidanylidene-pyridin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-[(3-nitrophenyl)methyl]-6-oxo-pyridine-3-carbonyl]amino]benzoate CAS Name: 4-[[[1-[(3-nitrophenyl)methyl]-6-oxo-3-pyridinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate Traditional Name: 4-[[6-keto-1-(3-nitrobenzyl)nicotinoyl]amino]benzoic acid methyl ester Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(C(=O)C=C2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(C(=O)C=C2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O6/c1-30-21(27)15-5-8-17(9-6-15)22-20(26)16-7-10-19(25)23(13-16)12-14-3-2-4-18(11-14)24(28)29/h2-11,13H,12H2,1H3,(H,22,26)