methyl 3-[[2-chloroethyl(nitroso)carbamoyl]amino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[2-chloroethyl(nitroso)carbamoyl]amino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-chloroethyl(nitroso)carbamoyl]amino]-4-methyl-benzoate CAS Name: 3-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-chloroethyl(nitroso)carbamoyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-chloroethyl(nitroso)carbamoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C12H14ClN3O4 MolecularWeight: 299.71026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)N(CCCl)N=O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)N(CCCl)N=O

InChI

InChI=1S/C12H14ClN3O4/c1-8-3-4-9(11(17)20-2)7-10(8)14-12(18)16(15-19)6-5-13/h3-4,7H,5-6H2,1-2H3,(H,14,18)