1-methyl-5-nitro-3-phenyl-indole-2-carboxylic acid

Systemtic Name: 1-methyl-5-nitro-3-phenyl-indole-2-carboxylic acid Openeye Name: 1-methyl-5-nitro-3-phenyl-indole-2-carboxylic acid CAS Name: 1-methyl-5-nitro-3-phenyl-2-indolecarboxylic acid IUPAC Name: 1-methyl-5-nitro-3-phenylindole-2-carboxylic acid Traditional Name: 1-methyl-5-nitro-3-phenyl-indole-2-carboxylic acid Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C16H12N2O4/c1-17-13-8-7-11(18(21)22)9-12(13)14(15(17)16(19)20)10-5-3-2-4-6-10/h2-9H,1H3,(H,19,20)