ethyl 3-[(1H-indol-3-ylcarbonylamino)carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(1H-indol-3-ylcarbonylamino)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(1H-indole-3-carbonylamino)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[1H-indol-3-yl(oxo)methyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(1H-indole-3-carbonylamino)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(1H-indole-3-carbonylamino)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C19H16N4O6 MolecularWeight: 396.35354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)C2=CNC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)C2=CNC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O6/c1-2-29-19(26)12-7-11(8-13(9-12)23(27)28)17(24)21-22-18(25)15-10-20-16-6-4-3-5-14(15)16/h3-10,20H,2H2,1H3,(H,21,24)(H,22,25)