methyl 3-methyl-4-[3-nitro-4-(pyridin-4-ylcarbonylamino)phenyl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 3-methyl-4-[3-nitro-4-(pyridin-4-ylcarbonylamino)phenyl]-4-oxidanylidene-butanoate Openeye Name: methyl 3-methyl-4-[3-nitro-4-(pyridine-4-carbonylamino)phenyl]-4-oxo-butanoate CAS Name: 3-methyl-4-[3-nitro-4-[[oxo(pyridin-4-yl)methyl]amino]phenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 3-methyl-4-[3-nitro-4-(pyridine-4-carbonylamino)phenyl]-4-oxobutanoate Traditional Name: 4-(4-isonicotinamido-3-nitro-phenyl)-4-keto-3-methyl-butyric acid methyl ester Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)C(=O)C1=CC(=C(C=C1)NC(=O)C2=CC=NC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(CC(=O)OC)C(=O)C1=CC(=C(C=C1)NC(=O)C2=CC=NC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6/c1-11(9-16(22)27-2)17(23)13-3-4-14(15(10-13)21(25)26)20-18(24)12-5-7-19-8-6-12/h3-8,10-11H,9H2,1-2H3,(H,20,24)