N'-(3-chloranyl-2-methyl-4,6-dinitro-phenyl)-N-(4-nitrophenyl)butane-1,4-diamine

Systemtic Name: N'-(3-chloranyl-2-methyl-4,6-dinitro-phenyl)-N-(4-nitrophenyl)butane-1,4-diamine Openeye Name: N'-(3-chloro-2-methyl-4,6-dinitro-phenyl)-N-(4-nitrophenyl)butane-1,4-diamine CAS Name: N'-(3-chloro-2-methyl-4,6-dinitrophenyl)-N-(4-nitrophenyl)butane-1,4-diamine IUPAC Name: N'-(3-chloro-2-methyl-4,6-dinitrophenyl)-N-(4-nitrophenyl)butane-1,4-diamine Traditional Name: 4-(3-chloro-2-methyl-4,6-dinitro-anilino)butyl-(4-nitrophenyl)amine Formula: C17H18ClN5O6 MolecularWeight: 423.80772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1Cl)[N+](=O)[O-])[N+](=O)[O-])NCCCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC(=C1Cl)[N+](=O)[O-])[N+](=O)[O-])NCCCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18ClN5O6/c1-11-16(18)14(22(26)27)10-15(23(28)29)17(11)20-9-3-2-8-19-12-4-6-13(7-5-12)21(24)25/h4-7,10,19-20H,2-3,8-9H2,1H3