(4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl) 3-methyl-4-nitro-benzoate

Systemtic Name: (4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl) 3-methyl-4-nitro-benzoate Openeye Name: (4-amino-3-cyano-2-oxo-pent-3-enyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (4-amino-3-cyano-2-oxopent-3-enyl) ester IUPAC Name: (4-amino-3-cyano-2-oxopent-3-enyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (4-amino-3-cyano-2-keto-pent-3-enyl) ester Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O5/c1-8-5-10(3-4-12(8)17(20)21)14(19)22-7-13(18)11(6-15)9(2)16/h3-5H,7,16H2,1-2H3