N-[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[2-[4-(cyanomethyl)anilino]-2-oxo-ethyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[2-[4-(cyanomethyl)anilino]-2-keto-ethyl]-4-methoxy-3-nitro-benzamide Formula: C18H16N4O5 MolecularWeight: 368.34344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)CC#N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5/c1-27-16-7-4-13(10-15(16)22(25)26)18(24)20-11-17(23)21-14-5-2-12(3-6-14)8-9-19/h2-7,10H,8,11H2,1H3,(H,20,24)(H,21,23)