N-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]-3-nitro-aniline

Systemtic Name: N-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]-3-nitro-aniline Openeye Name: N-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]-3-nitro-aniline CAS Name: N-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-nitroaniline IUPAC Name: N-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-nitroaniline Traditional Name: bis(2-chloroethyl)-[(3-nitroanilino)-phenoxy-phosphoryl]amine Formula: C16H18Cl2N3O4P MolecularWeight: 418.211581

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OP(=O)(NC2=CC(=CC=C2)[N+](=O)[O-])N(CCCl)CCCl

Isomeric SMILES

C1=CC=C(C=C1)OP(=O)(NC2=CC(=CC=C2)[N+](=O)[O-])N(CCCl)CCCl

InChI

InChI=1S/C16H18Cl2N3O4P/c17-9-11-20(12-10-18)26(24,25-16-7-2-1-3-8-16)19-14-5-4-6-15(13-14)21(22)23/h1-8,13H,9-12H2,(H,19,24)