[4-[bis(2-chloroethyl)amino]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[bis(2-chloroethyl)amino]phenyl] 3-nitrobenzoate Openeye Name: [4-[bis(2-chloroethyl)amino]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[bis(2-chloroethyl)amino]phenyl] ester IUPAC Name: [4-[bis(2-chloroethyl)amino]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[bis(2-chloroethyl)amino]phenyl] ester Formula: C17H16Cl2N2O4 MolecularWeight: 383.22594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)N(CCCl)CCCl

InChI

InChI=1S/C17H16Cl2N2O4/c18-8-10-20(11-9-19)14-4-6-16(7-5-14)25-17(22)13-2-1-3-15(12-13)21(23)24/h1-7,12H,8-11H2