methyl 3-methyl-6-nitro-2-oxidanylidene-5-(pyridin-4-ylcarbonylamino)-1H-indole-3-carboxylate

Systemtic Name: methyl 3-methyl-6-nitro-2-oxidanylidene-5-(pyridin-4-ylcarbonylamino)-1H-indole-3-carboxylate Openeye Name: methyl 3-methyl-6-nitro-2-oxo-5-(pyridine-4-carbonylamino)indoline-3-carboxylate CAS Name: 3-methyl-6-nitro-2-oxo-5-[[oxo(pyridin-4-yl)methyl]amino]-1H-indole-3-carboxylic acid methyl ester IUPAC Name: methyl 3-methyl-6-nitro-2-oxo-5-(pyridine-4-carbonylamino)-1H-indole-3-carboxylate Traditional Name: 5-isonicotinamido-2-keto-3-methyl-6-nitro-indoline-3-carboxylic acid methyl ester Formula: C17H14N4O6 MolecularWeight: 370.31626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])NC(=O)C3=CC=NC=C3)C(=O)OC

Isomeric SMILES

CC1(C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])NC(=O)C3=CC=NC=C3)C(=O)OC

InChI

InChI=1S/C17H14N4O6/c1-17(16(24)27-2)10-7-12(19-14(22)9-3-5-18-6-4-9)13(21(25)26)8-11(10)20-15(17)23/h3-8H,1-2H3,(H,19,22)(H,20,23)