4-[4-[bis(2-chloroethyl)amino]-3-nitro-phenyl]butanoic acid

Systemtic Name: 4-[4-[bis(2-chloroethyl)amino]-3-nitro-phenyl]butanoic acid Openeye Name: 4-[4-[bis(2-chloroethyl)amino]-3-nitro-phenyl]butanoic acid CAS Name: 4-[4-[bis(2-chloroethyl)amino]-3-nitrophenyl]butanoic acid IUPAC Name: 4-[4-[bis(2-chloroethyl)amino]-3-nitrophenyl]butanoic acid Traditional Name: 4-[4-[bis(2-chloroethyl)amino]-3-nitro-phenyl]butyric acid Formula: C14H18Cl2N2O4 MolecularWeight: 349.20972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCCC(=O)O)[N+](=O)[O-])N(CCCl)CCCl

Isomeric SMILES

C1=CC(=C(C=C1CCCC(=O)O)[N+](=O)[O-])N(CCCl)CCCl

InChI

InChI=1S/C14H18Cl2N2O4/c15-6-8-17(9-7-16)12-5-4-11(2-1-3-14(19)20)10-13(12)18(21)22/h4-5,10H,1-3,6-9H2,(H,19,20)