2-methyl-N-(1-morpholin-4-ium-4-ylideneethyl)-5-nitro-aniline

Systemtic Name: 2-methyl-N-(1-morpholin-4-ium-4-ylideneethyl)-5-nitro-aniline Openeye Name: 2-methyl-N-(1-morpholin-4-ium-4-ylideneethyl)-5-nitro-aniline CAS Name: 2-methyl-N-[1-(4-morpholin-4-iumylidene)ethyl]-5-nitroaniline IUPAC Name: 2-methyl-N-(1-morpholin-4-ium-4-ylideneethyl)-5-nitroaniline Traditional Name: (2-methyl-5-nitro-phenyl)-(1-morpholin-4-ium-4-ylideneethyl)amine Formula: C13H18N3O3+ MolecularWeight: 264.30032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=[N+]2CCOCC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=[N+]2CCOCC2)C

InChI

InChI=1S/C13H17N3O3/c1-10-3-4-12(16(17)18)9-13(10)14-11(2)15-5-7-19-8-6-15/h3-4,9H,5-8H2,1-2H3/p+1