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

Systemtic Name: 1-ethyl-3-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]indole-2-carboxylic acid Openeye Name: 1-ethyl-3-[2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl]indole-2-carboxylic acid CAS Name: 1-ethyl-3-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-2-indolecarboxylic acid IUPAC Name: 1-ethyl-3-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]indole-2-carboxylic acid Traditional Name: 1-ethyl-3-[2-keto-2-(2-methoxy-5-nitro-anilino)ethyl]indole-2-carboxylic acid Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H19N3O6/c1-3-22-16-7-5-4-6-13(16)14(19(22)20(25)26)11-18(24)21-15-10-12(23(27)28)8-9-17(15)29-2/h4-10H,3,11H2,1-2H3,(H,21,24)(H,25,26)