N-[bis(2-chloroethyl)aminomethyl]-3-nitro-benzamide

Systemtic Name: N-[bis(2-chloroethyl)aminomethyl]-3-nitro-benzamide Openeye Name: N-[bis(2-chloroethyl)aminomethyl]-3-nitro-benzamide CAS Name: N-[bis(2-chloroethyl)aminomethyl]-3-nitrobenzamide IUPAC Name: N-[bis(2-chloroethyl)aminomethyl]-3-nitrobenzamide Traditional Name: N-[bis(2-chloroethyl)aminomethyl]-3-nitro-benzamide Formula: C12H15Cl2N3O3 MolecularWeight: 320.1718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCN(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCN(CCCl)CCCl

InChI

InChI=1S/C12H15Cl2N3O3/c13-4-6-16(7-5-14)9-15-12(18)10-2-1-3-11(8-10)17(19)20/h1-3,8H,4-7,9H2,(H,15,18)