1-[(4-chlorophenyl)methyl]-4-(2,4-dinitrophenyl)-1,4-diazepane

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-(2,4-dinitrophenyl)-1,4-diazepane Openeye Name: 1-[(4-chlorophenyl)methyl]-4-(2,4-dinitrophenyl)-1,4-diazepane CAS Name: 1-[(4-chlorophenyl)methyl]-4-(2,4-dinitrophenyl)-1,4-diazepane IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-(2,4-dinitrophenyl)-1,4-diazepane Traditional Name: 1-(4-chlorobenzyl)-4-(2,4-dinitrophenyl)-1,4-diazepane Formula: C18H19ClN4O4 MolecularWeight: 390.82086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H19ClN4O4/c19-15-4-2-14(3-5-15)13-20-8-1-9-21(11-10-20)17-7-6-16(22(24)25)12-18(17)23(26)27/h2-7,12H,1,8-11,13H2