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

Systemtic Name: ethyl 3-ethyl-6-nitro-2-oxidanylidene-5-(pyridin-4-ylcarbonylamino)-1H-indole-3-carboxylate Openeye Name: ethyl 3-ethyl-6-nitro-2-oxo-5-(pyridine-4-carbonylamino)indoline-3-carboxylate CAS Name: 3-ethyl-6-nitro-2-oxo-5-[[oxo(pyridin-4-yl)methyl]amino]-1H-indole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-6-nitro-2-oxo-5-(pyridine-4-carbonylamino)-1H-indole-3-carboxylate Traditional Name: 3-ethyl-5-isonicotinamido-2-keto-6-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)[N+](=O)[O-])NC(=O)C3=CC=NC=C3)C(=O)OCC

Isomeric SMILES

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

InChI

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