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

Systemtic Name: 2-azanyl-3-[(2-chlorophenyl)methyl]-4-nitro-benzoic acid Openeye Name: 2-amino-3-[(2-chlorophenyl)methyl]-4-nitro-benzoic acid CAS Name: 2-amino-3-[(2-chlorophenyl)methyl]-4-nitrobenzoic acid IUPAC Name: 2-amino-3-[(2-chlorophenyl)methyl]-4-nitrobenzoic acid Traditional Name: 2-amino-3-(2-chlorobenzyl)-4-nitro-benzoic acid Formula: C14H11ClN2O4 MolecularWeight: 306.70114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=C(C=CC(=C2N)C(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)CC2=C(C=CC(=C2N)C(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H11ClN2O4/c15-11-4-2-1-3-8(11)7-10-12(17(20)21)6-5-9(13(10)16)14(18)19/h1-6H,7,16H2,(H,18,19)