4-[(Z)-[4-(4-methoxyphenyl)-3-nitro-pyrrol-2-ylidene]methyl]morpholin-4-ium

Systemtic Name: 4-[(Z)-[4-(4-methoxyphenyl)-3-nitro-pyrrol-2-ylidene]methyl]morpholin-4-ium Openeye Name: 4-[(Z)-[4-(4-methoxyphenyl)-3-nitro-pyrrol-2-ylidene]methyl]morpholin-4-ium CAS Name: 4-[(Z)-[4-(4-methoxyphenyl)-3-nitro-2-pyrrolylidene]methyl]morpholin-4-ium IUPAC Name: 4-[(Z)-[4-(4-methoxyphenyl)-3-nitropyrrol-2-ylidene]methyl]morpholin-4-ium Traditional Name: 4-[(Z)-[4-(4-methoxyphenyl)-3-nitro-pyrrol-2-ylidene]methyl]morpholin-4-ium Formula: C16H18N3O4+ MolecularWeight: 316.33182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4/c1-22-13-4-2-12(3-5-13)14-10-17-15(16(14)19(20)21)11-18-6-8-23-9-7-18/h2-5,10-11H,6-9H2,1H3/p+1/b15-11-