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

Systemtic Name: 4-[2-(4-chlorophenyl)ethylamino]-3-nitro-benzoic acid Openeye Name: 4-[2-(4-chlorophenyl)ethylamino]-3-nitro-benzoic acid CAS Name: 4-[2-(4-chlorophenyl)ethylamino]-3-nitrobenzoic acid IUPAC Name: 4-[2-(4-chlorophenyl)ethylamino]-3-nitrobenzoic acid Traditional Name: 4-[2-(4-chlorophenyl)ethylamino]-3-nitro-benzoic acid Formula: C15H13ClN2O4 MolecularWeight: 320.72772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CCNC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H13ClN2O4/c16-12-4-1-10(2-5-12)7-8-17-13-6-3-11(15(19)20)9-14(13)18(21)22/h1-6,9,17H,7-8H2,(H,19,20)