3-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylic acid

Systemtic Name: 3-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylic acid Openeye Name: 3-[2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[2-keto-2-(2-methoxy-5-nitro-anilino)ethyl]-1-methyl-indole-2-carboxylic acid Formula: C19H17N3O6 MolecularWeight: 383.35478

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H17N3O6/c1-21-15-6-4-3-5-12(15)13(18(21)19(24)25)10-17(23)20-14-9-11(22(26)27)7-8-16(14)28-2/h3-9H,10H2,1-2H3,(H,20,23)(H,24,25)