N-[(3-bromophenyl)-morpholin-4-ium-4-ylidene-methyl]-2-methyl-5-nitro-aniline

Systemtic Name: N-[(3-bromophenyl)-morpholin-4-ium-4-ylidene-methyl]-2-methyl-5-nitro-aniline Openeye Name: N-[(3-bromophenyl)-morpholin-4-ium-4-ylidene-methyl]-2-methyl-5-nitro-aniline CAS Name: N-[(3-bromophenyl)-(4-morpholin-4-iumylidene)methyl]-2-methyl-5-nitroaniline IUPAC Name: N-[(3-bromophenyl)-morpholin-4-ium-4-ylidenemethyl]-2-methyl-5-nitroaniline Traditional Name: [(3-bromophenyl)-morpholin-4-ium-4-ylidene-methyl]-(2-methyl-5-nitro-phenyl)amine Formula: C18H19BrN3O3+ MolecularWeight: 405.26576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=[N+]2CCOCC2)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=[N+]2CCOCC2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C18H18BrN3O3/c1-13-5-6-16(22(23)24)12-17(13)20-18(21-7-9-25-10-8-21)14-3-2-4-15(19)11-14/h2-6,11-12H,7-10H2,1H3/p+1