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

Systemtic Name: ethyl 3-methyl-6-nitro-2-oxidanylidene-5-(pyridin-3-ylcarbonylamino)-1H-indole-3-carboxylate Openeye Name: ethyl 3-methyl-6-nitro-2-oxo-5-(pyridine-3-carbonylamino)indoline-3-carboxylate CAS Name: 3-methyl-6-nitro-2-oxo-5-[[oxo(3-pyridinyl)methyl]amino]-1H-indole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-6-nitro-2-oxo-5-(pyridine-3-carbonylamino)-1H-indole-3-carboxylate Traditional Name: 2-keto-3-methyl-5-nicotinamido-6-nitro-indoline-3-carboxylic acid ethyl ester Formula: C18H16N4O6 MolecularWeight: 384.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])NC(=O)C3=CN=CC=C3)C

Isomeric SMILES

CCOC(=O)C1(C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])NC(=O)C3=CN=CC=C3)C

InChI

InChI=1S/C18H16N4O6/c1-3-28-17(25)18(2)11-7-13(20-15(23)10-5-4-6-19-9-10)14(22(26)27)8-12(11)21-16(18)24/h4-9H,3H2,1-2H3,(H,20,23)(H,21,24)