N-[(E)-(3-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-3-nitro-benzamide

Systemtic Name: N-[(E)-(3-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-3-nitro-benzamide Openeye Name: N-[(E)-(3-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-3-nitro-benzamide CAS Name: N-[(E)-(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-3-nitrobenzamide IUPAC Name: N-[(E)-(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-3-nitrobenzamide Traditional Name: N-[(E)-(3-methoxy-4-propargyloxy-benzylidene)amino]-3-nitro-benzamide Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OCC#C

InChI

InChI=1S/C18H15N3O5/c1-3-9-26-16-8-7-13(10-17(16)25-2)12-19-20-18(22)14-5-4-6-15(11-14)21(23)24/h1,4-8,10-12H,9H2,2H3,(H,20,22)/b19-12+