3-[(3-methylphenyl)methyl]-5-nitro-1H-indole-2-carboxylic acid

Systemtic Name: 3-[(3-methylphenyl)methyl]-5-nitro-1H-indole-2-carboxylic acid Openeye Name: 3-(m-tolylmethyl)-5-nitro-1H-indole-2-carboxylic acid CAS Name: 3-[(3-methylphenyl)methyl]-5-nitro-1H-indole-2-carboxylic acid IUPAC Name: 3-[(3-methylphenyl)methyl]-5-nitro-1H-indole-2-carboxylic acid Traditional Name: 3-(3-methylbenzyl)-5-nitro-1H-indole-2-carboxylic acid Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CC2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H14N2O4/c1-10-3-2-4-11(7-10)8-14-13-9-12(19(22)23)5-6-15(13)18-16(14)17(20)21/h2-7,9,18H,8H2,1H3,(H,20,21)