N-[[4-[bis(2-chloroethyl)amino]phenyl]-diphenoxyphosphoryl-methyl]-3-nitro-aniline

Systemtic Name: N-[[4-[bis(2-chloroethyl)amino]phenyl]-diphenoxyphosphoryl-methyl]-3-nitro-aniline Openeye Name: N-[[4-[bis(2-chloroethyl)amino]phenyl]-diphenoxyphosphoryl-methyl]-3-nitro-aniline CAS Name: N-[[4-[bis(2-chloroethyl)amino]phenyl]-diphenoxyphosphorylmethyl]-3-nitroaniline IUPAC Name: N-[[4-[bis(2-chloroethyl)amino]phenyl]-diphenoxyphosphorylmethyl]-3-nitroaniline Traditional Name: bis(2-chloroethyl)-[4-[diphenoxyphosphoryl-(3-nitroanilino)methyl]phenyl]amine Formula: C29H28Cl2N3O5P MolecularWeight: 600.429481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OP(=O)(C(C2=CC=C(C=C2)N(CCCl)CCCl)NC3=CC(=CC=C3)[N+](=O)[O-])OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)OP(=O)(C(C2=CC=C(C=C2)N(CCCl)CCCl)NC3=CC(=CC=C3)[N+](=O)[O-])OC4=CC=CC=C4

InChI

InChI=1S/C29H28Cl2N3O5P/c30-18-20-33(21-19-31)25-16-14-23(15-17-25)29(32-24-8-7-9-26(22-24)34(35)36)40(37,38-27-10-3-1-4-11-27)39-28-12-5-2-6-13-28/h1-17,22,29,32H,18-21H2