1-[(4-dimethylaminophenyl)methyl]-1-ethyl-3-[2-[(4-nitrophenyl)amino]ethyl]urea

Systemtic Name: 1-[(4-dimethylaminophenyl)methyl]-1-ethyl-3-[2-[(4-nitrophenyl)amino]ethyl]urea Openeye Name: 1-[(4-dimethylaminophenyl)methyl]-1-ethyl-3-[2-(4-nitroanilino)ethyl]urea CAS Name: 1-[(4-dimethylaminophenyl)methyl]-1-ethyl-3-[2-(4-nitroanilino)ethyl]urea IUPAC Name: 1-[(4-dimethylaminophenyl)methyl]-1-ethyl-3-[2-(4-nitroanilino)ethyl]urea Traditional Name: 1-[4-(dimethylamino)benzyl]-1-ethyl-3-[2-(4-nitroanilino)ethyl]urea Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)N(C)C)C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC=C(C=C1)N(C)C)C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O3/c1-4-24(15-16-5-9-18(10-6-16)23(2)3)20(26)22-14-13-21-17-7-11-19(12-8-17)25(27)28/h5-12,21H,4,13-15H2,1-3H3,(H,22,26)