(E)-3-(4-nitrophenyl)-2-[(phenylmethyl)carbamoyl]prop-2-enoic acid

Systemtic Name: (E)-3-(4-nitrophenyl)-2-[(phenylmethyl)carbamoyl]prop-2-enoic acid Openeye Name: (E)-2-(benzylcarbamoyl)-3-(4-nitrophenyl)prop-2-enoic acid CAS Name: (E)-3-(4-nitrophenyl)-2-[oxo-[(phenylmethyl)amino]methyl]-2-propenoic acid IUPAC Name: (E)-2-(benzylcarbamoyl)-3-(4-nitrophenyl)prop-2-enoic acid Traditional Name: (E)-2-(benzylcarbamoyl)-3-(4-nitrophenyl)acrylic acid Formula: C17H14N2O5 MolecularWeight: 326.30346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)O

InChI

InChI=1S/C17H14N2O5/c20-16(18-11-13-4-2-1-3-5-13)15(17(21)22)10-12-6-8-14(9-7-12)19(23)24/h1-10H,11H2,(H,18,20)(H,21,22)/b15-10+