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

Systemtic Name: 3-[(3-chlorophenyl)methyl]-5-nitro-1H-indole-2-carboxylic acid Openeye Name: 3-[(3-chlorophenyl)methyl]-5-nitro-1H-indole-2-carboxylic acid CAS Name: 3-[(3-chlorophenyl)methyl]-5-nitro-1H-indole-2-carboxylic acid IUPAC Name: 3-[(3-chlorophenyl)methyl]-5-nitro-1H-indole-2-carboxylic acid Traditional Name: 3-(3-chlorobenzyl)-5-nitro-1H-indole-2-carboxylic acid Formula: C16H11ClN2O4 MolecularWeight: 330.72254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN2O4/c17-10-3-1-2-9(6-10)7-13-12-8-11(19(22)23)4-5-14(12)18-15(13)16(20)21/h1-6,8,18H,7H2,(H,20,21)