(E)-2-benzamido-3-[3-[(2-chloranyl-4-nitro-phenyl)carbamoyl]-4-oxidanyl-phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-[3-[(2-chloranyl-4-nitro-phenyl)carbamoyl]-4-oxidanyl-phenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[3-[(2-chloro-4-nitro-phenyl)carbamoyl]-4-hydroxy-phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[3-[(2-chloro-4-nitroanilino)-oxomethyl]-4-hydroxyphenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[3-[(2-chloro-4-nitrophenyl)carbamoyl]-4-hydroxyphenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[3-[(2-chloro-4-nitro-phenyl)carbamoyl]-4-hydroxy-phenyl]acrylic acid Formula: C23H16ClN3O7 MolecularWeight: 481.84204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=C(C=C2)O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC(=C(C=C2)O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)/C(=O)O

InChI

InChI=1S/C23H16ClN3O7/c24-17-12-15(27(33)34)7-8-18(17)25-22(30)16-10-13(6-9-20(16)28)11-19(23(31)32)26-21(29)14-4-2-1-3-5-14/h1-12,28H,(H,25,30)(H,26,29)(H,31,32)/b19-11+