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

Systemtic Name: ethyl 3-ethyl-5-nitro-2-oxidanylidene-6-(pyridin-3-ylcarbonylamino)-1H-indole-3-carboxylate Openeye Name: ethyl 3-ethyl-5-nitro-2-oxo-6-(pyridine-3-carbonylamino)indoline-3-carboxylate CAS Name: 3-ethyl-5-nitro-2-oxo-6-[[oxo(3-pyridinyl)methyl]amino]-1H-indole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-5-nitro-2-oxo-6-(pyridine-3-carbonylamino)-1H-indole-3-carboxylate Traditional Name: 3-ethyl-2-keto-6-nicotinamido-5-nitro-indoline-3-carboxylic acid ethyl ester Formula: C19H18N4O6 MolecularWeight: 398.36942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC(=C(C=C2NC1=O)NC(=O)C3=CN=CC=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1(C2=CC(=C(C=C2NC1=O)NC(=O)C3=CN=CC=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C19H18N4O6/c1-3-19(18(26)29-4-2)12-8-15(23(27)28)14(9-13(12)22-17(19)25)21-16(24)11-6-5-7-20-10-11/h5-10H,3-4H2,1-2H3,(H,21,24)(H,22,25)