methyl (E)-3-[(3,5-dinitrophenyl)carbonylamino]but-2-enoate

Systemtic Name: methyl (E)-3-[(3,5-dinitrophenyl)carbonylamino]but-2-enoate Openeye Name: methyl (E)-3-[(3,5-dinitrobenzoyl)amino]but-2-enoate CAS Name: (E)-3-[[(3,5-dinitrophenyl)-oxomethyl]amino]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-3-[(3,5-dinitrobenzoyl)amino]but-2-enoate Traditional Name: (E)-3-[(3,5-dinitrobenzoyl)amino]but-2-enoic acid methyl ester Formula: C12H11N3O7 MolecularWeight: 309.23164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C/C(=C\C(=O)OC)/NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O7/c1-7(3-11(16)22-2)13-12(17)8-4-9(14(18)19)6-10(5-8)15(20)21/h3-6H,1-2H3,(H,13,17)/b7-3+