1-butyl-3,3-bis(2-chloranyl-4-nitro-phenyl)-1-(phenylmethyl)urea

Systemtic Name: 1-butyl-3,3-bis(2-chloranyl-4-nitro-phenyl)-1-(phenylmethyl)urea Openeye Name: 1-benzyl-1-butyl-3,3-bis(2-chloro-4-nitro-phenyl)urea CAS Name: 1-butyl-3,3-bis(2-chloro-4-nitrophenyl)-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-1-butyl-3,3-bis(2-chloro-4-nitrophenyl)urea Traditional Name: 1-benzyl-1-butyl-3,3-bis(2-chloro-4-nitro-phenyl)urea Formula: C24H22Cl2N4O5 MolecularWeight: 517.36128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C(=O)N(C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C(=O)N(C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H22Cl2N4O5/c1-2-3-13-27(16-17-7-5-4-6-8-17)24(31)28(22-11-9-18(29(32)33)14-20(22)25)23-12-10-19(30(34)35)15-21(23)26/h4-12,14-15H,2-3,13,16H2,1H3