dimethyl 5-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(5-nitro-2-oxo-indol-3-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[(5-nitro-2-oxo-3-indolyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(5-nitro-2-oxoindol-3-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-keto-5-nitro-indol-3-yl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H13N3O7 MolecularWeight: 383.31172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H13N3O7/c1-27-17(23)9-5-10(18(24)28-2)7-11(6-9)19-15-13-8-12(21(25)26)3-4-14(13)20-16(15)22/h3-8H,1-2H3,(H,19,20,22)