methyl 3-[(2E)-2-[(2-nitrophenyl)methylidene]-3-oxidanylidene-butyl]-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[(2E)-2-[(2-nitrophenyl)methylidene]-3-oxidanylidene-butyl]-1H-indole-2-carboxylate Openeye Name: methyl 3-[(2E)-2-[(2-nitrophenyl)methylene]-3-oxo-butyl]-1H-indole-2-carboxylate CAS Name: 3-[(2E)-2-[(2-nitrophenyl)methylidene]-3-oxobutyl]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(2E)-2-[(2-nitrophenyl)methylidene]-3-oxobutyl]-1H-indole-2-carboxylate Traditional Name: 3-[(E)-2-acetyl-3-(2-nitrophenyl)allyl]-1H-indole-2-carboxylic acid methyl ester Formula: C21H18N2O5 MolecularWeight: 378.37802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC=C1[N+](=O)[O-])CC2=C(NC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC(=O)/C(=C/C1=CC=CC=C1[N+](=O)[O-])/CC2=C(NC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C21H18N2O5/c1-13(24)15(11-14-7-3-6-10-19(14)23(26)27)12-17-16-8-4-5-9-18(16)22-20(17)21(25)28-2/h3-11,22H,12H2,1-2H3/b15-11+