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

Systemtic Name: ethyl (E)-3-[(3,5-dinitrophenyl)carbonylamino]but-2-enoate Openeye Name: ethyl (E)-3-[(3,5-dinitrobenzoyl)amino]but-2-enoate CAS Name: (E)-3-[[(3,5-dinitrophenyl)-oxomethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(3,5-dinitrobenzoyl)amino]but-2-enoate Traditional Name: (E)-3-[(3,5-dinitrobenzoyl)amino]but-2-enoic acid ethyl ester Formula: C13H13N3O7 MolecularWeight: 323.25822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O7/c1-3-23-12(17)4-8(2)14-13(18)9-5-10(15(19)20)7-11(6-9)16(21)22/h4-7H,3H2,1-2H3,(H,14,18)/b8-4+