4-[[2-[(4-chlorophenyl)carbamoyl]-4,6-dinitro-phenyl]amino]butanoic acid

Systemtic Name: 4-[[2-[(4-chlorophenyl)carbamoyl]-4,6-dinitro-phenyl]amino]butanoic acid Openeye Name: 4-[2-[(4-chlorophenyl)carbamoyl]-4,6-dinitro-anilino]butanoic acid CAS Name: 4-[2-[(4-chloroanilino)-oxomethyl]-4,6-dinitroanilino]butanoic acid IUPAC Name: 4-[2-[(4-chlorophenyl)carbamoyl]-4,6-dinitroanilino]butanoic acid Traditional Name: 4-[2-[(4-chlorophenyl)carbamoyl]-4,6-dinitro-anilino]butyric acid Formula: C17H15ClN4O7 MolecularWeight: 422.7766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2NCCCC(=O)O)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2NCCCC(=O)O)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C17H15ClN4O7/c18-10-3-5-11(6-4-10)20-17(25)13-8-12(21(26)27)9-14(22(28)29)16(13)19-7-1-2-15(23)24/h3-6,8-9,19H,1-2,7H2,(H,20,25)(H,23,24)