4-[2-methyl-1-(3-nitrophenyl)carbonyl-indol-3-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-methyl-1-(3-nitrophenyl)carbonyl-indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-methyl-1-(3-nitrobenzoyl)indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[2-methyl-1-[(3-nitrophenyl)-oxomethyl]-3-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[2-methyl-1-(3-nitrobenzoyl)indol-3-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[2-methyl-1-(3-nitrobenzoyl)indol-3-yl]butyric acid Formula: C20H16N2O6 MolecularWeight: 380.35084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CCC(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CCC(=O)O

InChI

InChI=1S/C20H16N2O6/c1-12-19(17(23)9-10-18(24)25)15-7-2-3-8-16(15)21(12)20(26)13-5-4-6-14(11-13)22(27)28/h2-8,11H,9-10H2,1H3,(H,24,25)