3-azanyl-4-(4-chlorophenyl)carbonyl-5-nitro-benzoic acid

Systemtic Name: 3-azanyl-4-(4-chlorophenyl)carbonyl-5-nitro-benzoic acid Openeye Name: 3-amino-4-(4-chlorobenzoyl)-5-nitro-benzoic acid CAS Name: 3-amino-4-[(4-chlorophenyl)-oxomethyl]-5-nitrobenzoic acid IUPAC Name: 3-amino-4-(4-chlorobenzoyl)-5-nitrobenzoic acid Traditional Name: 3-amino-4-(4-chlorobenzoyl)-5-nitro-benzoic acid Formula: C14H9ClN2O5 MolecularWeight: 320.68466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)N)Cl

InChI

InChI=1S/C14H9ClN2O5/c15-9-3-1-7(2-4-9)13(18)12-10(16)5-8(14(19)20)6-11(12)17(21)22/h1-6H,16H2,(H,19,20)