N'-(2-chloranyl-4-nitro-phenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethane-1,2-diamine

Systemtic Name: N'-(2-chloranyl-4-nitro-phenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethane-1,2-diamine Openeye Name: N'-(2-chloro-4-nitro-phenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethane-1,2-diamine CAS Name: N'-(2-chloro-4-nitrophenyl)-N-[[3-(2-pyrimidinyloxy)phenyl]methyl]ethane-1,2-diamine IUPAC Name: N'-(2-chloro-4-nitrophenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethane-1,2-diamine Traditional Name: 2-(2-chloro-4-nitro-anilino)ethyl-[3-(2-pyrimidyloxy)benzyl]amine Formula: C19H18ClN5O3 MolecularWeight: 399.83092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=NC=CC=N2)CNCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC(=C1)OC2=NC=CC=N2)CNCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H18ClN5O3/c20-17-12-15(25(26)27)5-6-18(17)22-10-9-21-13-14-3-1-4-16(11-14)28-19-23-7-2-8-24-19/h1-8,11-12,21-22H,9-10,13H2