(2-chloranyl-5-nitro-phenyl)methyl-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-(3-acetylanilino)-2-oxo-ethyl]-[(2-chloro-5-nitro-phenyl)methyl]-methyl-ammonium CAS Name: [2-(3-acetylanilino)-2-oxoethyl]-[(2-chloro-5-nitrophenyl)methyl]-methylammonium IUPAC Name: [2-(3-acetylanilino)-2-oxoethyl]-[(2-chloro-5-nitrophenyl)methyl]-methylazanium Traditional Name: [2-(3-acetylanilino)-2-keto-ethyl]-(2-chloro-5-nitro-benzyl)-methyl-ammonium Formula: C18H19ClN3O4+ MolecularWeight: 376.81416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C[NH+](C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C[NH+](C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN3O4/c1-12(23)13-4-3-5-15(8-13)20-18(24)11-21(2)10-14-9-16(22(25)26)6-7-17(14)19/h3-9H,10-11H2,1-2H3,(H,20,24)/p+1