[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C15H12ClN3O5 MolecularWeight: 349.72588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C=CC1=CC(=C(C=C1)Cl)[N+](=O)[O-])N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)/C=C/C1=CC(=C(C=C1)Cl)[N+](=O)[O-])/N

InChI

InChI=1S/C15H12ClN3O5/c1-9(18)11(7-17)14(20)8-24-15(21)5-3-10-2-4-12(16)13(6-10)19(22)23/h2-6H,8,18H2,1H3/b5-3+,11-9+