1,4-bis(3-methyl-4-nitro-phenyl)-1,4-diazepane

Systemtic Name: 1,4-bis(3-methyl-4-nitro-phenyl)-1,4-diazepane Openeye Name: 1,4-bis(3-methyl-4-nitro-phenyl)-1,4-diazepane CAS Name: 1,4-bis(3-methyl-4-nitrophenyl)-1,4-diazepane IUPAC Name: 1,4-bis(3-methyl-4-nitrophenyl)-1,4-diazepane Traditional Name: 1,4-bis(3-methyl-4-nitro-phenyl)-1,4-diazepane Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O4/c1-14-12-16(4-6-18(14)22(24)25)20-8-3-9-21(11-10-20)17-5-7-19(23(26)27)15(2)13-17/h4-7,12-13H,3,8-11H2,1-2H3