(3-methyl-4-nitro-phenyl)methyl N-[4-[2-(2-dimethylaminoethylamino)-2-oxidanylidene-ethyl]phenyl]-N-methyl-carbamate

Systemtic Name: (3-methyl-4-nitro-phenyl)methyl N-[4-[2-(2-dimethylaminoethylamino)-2-oxidanylidene-ethyl]phenyl]-N-methyl-carbamate Openeye Name: (3-methyl-4-nitro-phenyl)methyl N-[4-[2-(2-dimethylaminoethylamino)-2-oxo-ethyl]phenyl]-N-methyl-carbamate CAS Name: N-[4-[2-(2-dimethylaminoethylamino)-2-oxoethyl]phenyl]-N-methylcarbamic acid (3-methyl-4-nitrophenyl)methyl ester IUPAC Name: (3-methyl-4-nitrophenyl)methyl N-[4-[2-(2-dimethylaminoethylamino)-2-oxoethyl]phenyl]-N-methylcarbamate Traditional Name: N-[4-[2-(2-dimethylaminoethylamino)-2-keto-ethyl]phenyl]-N-methyl-carbamic acid (3-methyl-4-nitro-benzyl) ester Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)COC(=O)N(C)C2=CC=C(C=C2)CC(=O)NCCN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)COC(=O)N(C)C2=CC=C(C=C2)CC(=O)NCCN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O5/c1-16-13-18(7-10-20(16)26(29)30)15-31-22(28)25(4)19-8-5-17(6-9-19)14-21(27)23-11-12-24(2)3/h5-10,13H,11-12,14-15H2,1-4H3,(H,23,27)