2-cyano-3-[(4-methyl-3-nitro-phenyl)amino]-N-(propanoylcarbamoyl)prop-2-enamide

Systemtic Name: 2-cyano-3-[(4-methyl-3-nitro-phenyl)amino]-N-(propanoylcarbamoyl)prop-2-enamide Openeye Name: 2-cyano-3-(4-methyl-3-nitro-anilino)-N-(propanoylcarbamoyl)prop-2-enamide CAS Name: 2-cyano-3-(4-methyl-3-nitroanilino)-N-[oxo-(1-oxopropylamino)methyl]-2-propenamide IUPAC Name: 2-cyano-3-(4-methyl-3-nitroanilino)-N-(propanoylcarbamoyl)prop-2-enamide Traditional Name: 2-cyano-3-(4-methyl-3-nitro-anilino)-N-(propionylcarbamoyl)acrylamide Formula: C15H15N5O5 MolecularWeight: 345.3101

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=O)NC(=O)C(=CNC1=CC(=C(C=C1)C)[N+](=O)[O-])C#N

Isomeric SMILES

CCC(=O)NC(=O)NC(=O)C(=CNC1=CC(=C(C=C1)C)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H15N5O5/c1-3-13(21)18-15(23)19-14(22)10(7-16)8-17-11-5-4-9(2)12(6-11)20(24)25/h4-6,8,17H,3H2,1-2H3,(H2,18,19,21,22,23)