3-[bis(2-chloroethyl)aminomethyl]-4-formamido-benzoic acid

Systemtic Name: 3-[bis(2-chloroethyl)aminomethyl]-4-formamido-benzoic acid Openeye Name: 3-[bis(2-chloroethyl)aminomethyl]-4-formamido-benzoic acid CAS Name: 3-[bis(2-chloroethyl)aminomethyl]-4-formamidobenzoic acid IUPAC Name: 3-[bis(2-chloroethyl)aminomethyl]-4-formamidobenzoic acid Traditional Name: 3-[bis(2-chloroethyl)aminomethyl]-4-formamido-benzoic acid Formula: C13H16Cl2N2O3 MolecularWeight: 319.18374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)CN(CCCl)CCCl)NC=O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)CN(CCCl)CCCl)NC=O

InChI

InChI=1S/C13H16Cl2N2O3/c14-3-5-17(6-4-15)8-11-7-10(13(19)20)1-2-12(11)16-9-18/h1-2,7,9H,3-6,8H2,(H,16,18)(H,19,20)