1-[(3,4-dichlorophenyl)methyl]-5-nitro-indole-2-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-5-nitro-indole-2-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-5-nitro-indole-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)methyl]-5-nitro-2-indolecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-5-nitroindole-2-carboxylic acid Traditional Name: 1-(3,4-dichlorobenzyl)-5-nitro-indole-2-carboxylic acid Formula: C16H10Cl2N2O4 MolecularWeight: 365.1676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C=C2C(=O)O)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C=C2C(=O)O)Cl)Cl

InChI

InChI=1S/C16H10Cl2N2O4/c17-12-3-1-9(5-13(12)18)8-19-14-4-2-11(20(23)24)6-10(14)7-15(19)16(21)22/h1-7H,8H2,(H,21,22)