4-[(2-chlorophenyl)methyl]-3-nitro-2-(pentanoylamino)benzoic acid

Systemtic Name: 4-[(2-chlorophenyl)methyl]-3-nitro-2-(pentanoylamino)benzoic acid Openeye Name: 4-[(2-chlorophenyl)methyl]-3-nitro-2-(pentanoylamino)benzoic acid CAS Name: 4-[(2-chlorophenyl)methyl]-3-nitro-2-(1-oxopentylamino)benzoic acid IUPAC Name: 4-[(2-chlorophenyl)methyl]-3-nitro-2-(pentanoylamino)benzoic acid Traditional Name: 4-(2-chlorobenzyl)-3-nitro-2-(valerylamino)benzoic acid Formula: C19H19ClN2O5 MolecularWeight: 390.81756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=CC(=C1[N+](=O)[O-])CC2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

CCCCC(=O)NC1=C(C=CC(=C1[N+](=O)[O-])CC2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C19H19ClN2O5/c1-2-3-8-16(23)21-17-14(19(24)25)10-9-13(18(17)22(26)27)11-12-6-4-5-7-15(12)20/h4-7,9-10H,2-3,8,11H2,1H3,(H,21,23)(H,24,25)