(E)-3-(3,4-dinitrophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid

Systemtic Name: (E)-3-(3,4-dinitrophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid Openeye Name: (E)-2-(benzyloxycarbonylamino)-3-(3,4-dinitrophenyl)prop-2-enoic acid CAS Name: (E)-3-(3,4-dinitrophenyl)-2-(phenylmethoxycarbonylamino)-2-propenoic acid IUPAC Name: (E)-3-(3,4-dinitrophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid Traditional Name: (E)-2-(benzyloxycarbonylamino)-3-(3,4-dinitrophenyl)acrylic acid Formula: C17H13N3O8 MolecularWeight: 387.30042

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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-])[N+](=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-])[N+](=O)[O-])/C(=O)O

InChI

InChI=1S/C17H13N3O8/c21-16(22)13(18-17(23)28-10-11-4-2-1-3-5-11)8-12-6-7-14(19(24)25)15(9-12)20(26)27/h1-9H,10H2,(H,18,23)(H,21,22)/b13-8+