2-[(2-methyl-1H-indol-3-yl)carbonyl]-3-nitro-benzoic acid

Systemtic Name: 2-[(2-methyl-1H-indol-3-yl)carbonyl]-3-nitro-benzoic acid Openeye Name: 2-(2-methyl-1H-indole-3-carbonyl)-3-nitro-benzoic acid CAS Name: 2-[(2-methyl-1H-indol-3-yl)-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-(2-methyl-1H-indole-3-carbonyl)-3-nitrobenzoic acid Traditional Name: 2-(2-methyl-1H-indole-3-carbonyl)-3-nitro-benzoic acid Formula: C17H12N2O5 MolecularWeight: 324.28758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H12N2O5/c1-9-14(10-5-2-3-7-12(10)18-9)16(20)15-11(17(21)22)6-4-8-13(15)19(23)24/h2-8,18H,1H3,(H,21,22)