ethyl 3-[[(1-methylindol-3-yl)carbonylamino]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[(1-methylindol-3-yl)carbonylamino]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[(1-methylindole-3-carbonyl)amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(1-methyl-3-indolyl)-oxomethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[(1-methylindole-3-carbonyl)amino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(1-methylindole-3-carbonyl)amino]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)C2=CN(C3=CC=CC=C32)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)C2=CN(C3=CC=CC=C32)C)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O6/c1-3-30-20(27)13-8-12(9-14(10-13)24(28)29)18(25)21-22-19(26)16-11-23(2)17-7-5-4-6-15(16)17/h4-11H,3H2,1-2H3,(H,21,25)(H,22,26)