(E)-3-(4-nitro-3-oxidanyl-phenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid

Systemtic Name: (E)-3-(4-nitro-3-oxidanyl-phenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid Openeye Name: (E)-2-(benzyloxycarbonylamino)-3-(3-hydroxy-4-nitro-phenyl)prop-2-enoic acid CAS Name: (E)-3-(3-hydroxy-4-nitrophenyl)-2-(phenylmethoxycarbonylamino)-2-propenoic acid IUPAC Name: (E)-3-(3-hydroxy-4-nitrophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid Traditional Name: (E)-2-(benzyloxycarbonylamino)-3-(3-hydroxy-4-nitro-phenyl)acrylic acid Formula: C17H14N2O7 MolecularWeight: 358.30226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O7/c20-15-9-12(6-7-14(15)19(24)25)8-13(16(21)22)18-17(23)26-10-11-4-2-1-3-5-11/h1-9,20H,10H2,(H,18,23)(H,21,22)/b13-8+