cyclopropyl-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: cyclopropyl-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: cyclopropyl-[(4-isopropylphenyl)methyl]-[2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: cyclopropyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: cyclopropyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: cyclopropyl-(4-isopropylbenzyl)-[2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]ammonium Formula: C23H30N3O4+ MolecularWeight: 412.502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C[NH+](CC2=CC=C(C=C2)C(C)C)C3CC3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C[NH+](CC2=CC=C(C=C2)C(C)C)C3CC3)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O4/c1-15(2)18-7-5-17(6-8-18)13-25(19-9-10-19)14-23(27)24-20-12-22(30-4)21(26(28)29)11-16(20)3/h5-8,11-12,15,19H,9-10,13-14H2,1-4H3,(H,24,27)/p+1