3-[2-[(2-carboxy-6-nitro-phenyl)carbonylamino]ethyl]-5-methoxy-1H-indole-2-carboxylic acid

Systemtic Name: 3-[2-[(2-carboxy-6-nitro-phenyl)carbonylamino]ethyl]-5-methoxy-1H-indole-2-carboxylic acid Openeye Name: 3-[2-[(2-carboxy-6-nitro-benzoyl)amino]ethyl]-5-methoxy-1H-indole-2-carboxylic acid CAS Name: 3-[2-[[(2-carboxy-6-nitrophenyl)-oxomethyl]amino]ethyl]-5-methoxy-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-[(2-carboxy-6-nitrobenzoyl)amino]ethyl]-5-methoxy-1H-indole-2-carboxylic acid Traditional Name: 3-[2-[(2-carboxy-6-nitro-benzoyl)amino]ethyl]-5-methoxy-1H-indole-2-carboxylic acid Formula: C20H17N3O8 MolecularWeight: 427.36428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=C2CCNC(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=C2CCNC(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C20H17N3O8/c1-31-10-5-6-14-13(9-10)11(17(22-14)20(27)28)7-8-21-18(24)16-12(19(25)26)3-2-4-15(16)23(29)30/h2-6,9,22H,7-8H2,1H3,(H,21,24)(H,25,26)(H,27,28)