phenyl N-[2-[4-[(4,6-dimethyl-3-nitro-pyridin-2-yl)amino]phenyl]ethyl]carbamate

Systemtic Name: phenyl N-[2-[4-[(4,6-dimethyl-3-nitro-pyridin-2-yl)amino]phenyl]ethyl]carbamate Openeye Name: phenyl N-[2-[4-[(4,6-dimethyl-3-nitro-2-pyridyl)amino]phenyl]ethyl]carbamate CAS Name: N-[2-[4-[(4,6-dimethyl-3-nitro-2-pyridinyl)amino]phenyl]ethyl]carbamic acid phenyl ester IUPAC Name: phenyl N-[2-[4-[(4,6-dimethyl-3-nitropyridin-2-yl)amino]phenyl]ethyl]carbamate Traditional Name: N-[2-[4-[(4,6-dimethyl-3-nitro-2-pyridyl)amino]phenyl]ethyl]carbamic acid phenyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)CCNC(=O)OC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)CCNC(=O)OC3=CC=CC=C3)C

InChI

InChI=1S/C22H22N4O4/c1-15-14-16(2)24-21(20(15)26(28)29)25-18-10-8-17(9-11-18)12-13-23-22(27)30-19-6-4-3-5-7-19/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H,24,25)