methyl (Z)-3-(3,4-dinitrophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoate

Systemtic Name: methyl (Z)-3-(3,4-dinitrophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoate Openeye Name: methyl (Z)-2-(benzyloxycarbonylamino)-3-(3,4-dinitrophenyl)prop-2-enoate CAS Name: (Z)-3-(3,4-dinitrophenyl)-2-(phenylmethoxycarbonylamino)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-(3,4-dinitrophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoate Traditional Name: (Z)-2-(benzyloxycarbonylamino)-3-(3,4-dinitrophenyl)acrylic acid methyl ester Formula: C18H15N3O8 MolecularWeight: 401.327

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)/C(=C/C1=CC(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H15N3O8/c1-28-17(22)14(19-18(23)29-11-12-5-3-2-4-6-12)9-13-7-8-15(20(24)25)16(10-13)21(26)27/h2-10H,11H2,1H3,(H,19,23)/b14-9-