2-cyano-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-N-(phenylmethyl)prop-2-enamide

Systemtic Name: 2-cyano-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-N-(phenylmethyl)prop-2-enamide Openeye Name: N-benzyl-2-cyano-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-enamide CAS Name: 2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-N-(phenylmethyl)-2-propenamide IUPAC Name: N-benzyl-2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide Traditional Name: N-benzyl-2-cyano-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)acrylamide Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C(C#N)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C(C#N)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H15N3O5/c1-26-16-9-13(8-15(17(16)22)21(24)25)7-14(10-19)18(23)20-11-12-5-3-2-4-6-12/h2-9,22H,11H2,1H3,(H,20,23)