2-[2-[bis(2-chloroethyl)amino]-5-formamido-phenyl]-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 2-[2-[bis(2-chloroethyl)amino]-5-formamido-phenyl]-1,2,4-triazole-3-carboxylic acid Openeye Name: 2-[2-[bis(2-chloroethyl)amino]-5-formamido-phenyl]-1,2,4-triazole-3-carboxylic acid CAS Name: 2-[2-[bis(2-chloroethyl)amino]-5-formamidophenyl]-1,2,4-triazole-3-carboxylic acid IUPAC Name: 2-[2-[bis(2-chloroethyl)amino]-5-formamidophenyl]-1,2,4-triazole-3-carboxylic acid Traditional Name: 2-[2-[bis(2-chloroethyl)amino]-5-formamido-phenyl]-1,2,4-triazole-3-carboxylic acid Formula: C14H15Cl2N5O3 MolecularWeight: 372.2066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC=O)N2C(=NC=N2)C(=O)O)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=C(C=C1NC=O)N2C(=NC=N2)C(=O)O)N(CCCl)CCCl

InChI

InChI=1S/C14H15Cl2N5O3/c15-3-5-20(6-4-16)11-2-1-10(18-9-22)7-12(11)21-13(14(23)24)17-8-19-21/h1-2,7-9H,3-6H2,(H,18,22)(H,23,24)