2-nitroethyl (E)-5-(3-nitrophenyl)-3-oxidanylidene-pent-4-enoate

Systemtic Name: 2-nitroethyl (E)-5-(3-nitrophenyl)-3-oxidanylidene-pent-4-enoate Openeye Name: 2-nitroethyl (E)-5-(3-nitrophenyl)-3-oxo-pent-4-enoate CAS Name: (E)-5-(3-nitrophenyl)-3-oxo-4-pentenoic acid 2-nitroethyl ester IUPAC Name: 2-nitroethyl (E)-5-(3-nitrophenyl)-3-oxopent-4-enoate Traditional Name: (E)-3-keto-5-(3-nitrophenyl)pent-4-enoic acid 2-nitroethyl ester Formula: C13H12N2O7 MolecularWeight: 308.24358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O7/c16-12(9-13(17)22-7-6-14(18)19)5-4-10-2-1-3-11(8-10)15(20)21/h1-5,8H,6-7,9H2/b5-4+