(4-methoxycarbonylphenyl)methyl-[(2R)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: (4-methoxycarbonylphenyl)methyl-[(2R)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: (4-methoxycarbonylphenyl)methyl-[(1R)-1-methyl-2-(3-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: (4-methoxycarbonylphenyl)methyl-[(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: (4-methoxycarbonylphenyl)methyl-[(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl]azanium Traditional Name: (4-carbomethoxybenzyl)-[(1R)-2-keto-1-methyl-2-(3-nitroanilino)ethyl]ammonium Formula: C18H20N3O5+ MolecularWeight: 358.3685

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])[NH2+]CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])[NH2+]CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H19N3O5/c1-12(17(22)20-15-4-3-5-16(10-15)21(24)25)19-11-13-6-8-14(9-7-13)18(23)26-2/h3-10,12,19H,11H2,1-2H3,(H,20,22)/p+1/t12-/m1/s1