N-[(Z)-(4-methoxy-3-nitro-phenyl)methylideneamino]-4-(morpholin-4-ium-4-ylmethyl)benzamide

Systemtic Name: N-[(Z)-(4-methoxy-3-nitro-phenyl)methylideneamino]-4-(morpholin-4-ium-4-ylmethyl)benzamide Openeye Name: N-[(Z)-(4-methoxy-3-nitro-phenyl)methyleneamino]-4-(morpholin-4-ium-4-ylmethyl)benzamide CAS Name: N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-4-(4-morpholin-4-iumylmethyl)benzamide IUPAC Name: N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-4-(morpholin-4-ium-4-ylmethyl)benzamide Traditional Name: N-[(Z)-(4-methoxy-3-nitro-benzylidene)amino]-4-(morpholin-4-ium-4-ylmethyl)benzamide Formula: C20H23N4O5+ MolecularWeight: 399.42042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N\NC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5/c1-28-19-7-4-16(12-18(19)24(26)27)13-21-22-20(25)17-5-2-15(3-6-17)14-23-8-10-29-11-9-23/h2-7,12-13H,8-11,14H2,1H3,(H,22,25)/p+1/b21-13-