methyl 3-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methylideneamino]-4-oxidanyl-benzoate

Systemtic Name: methyl 3-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methylideneamino]-4-oxidanyl-benzoate Openeye Name: methyl 3-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyleneamino]-4-hydroxy-benzoate CAS Name: 3-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-4-hydroxybenzoic acid methyl ester IUPAC Name: methyl 3-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-4-hydroxybenzoate Traditional Name: 3-[[4-[bis(2-chloroethyl)amino]-2-methyl-benzylidene]amino]-4-hydroxy-benzoic acid methyl ester Formula: C20H22Cl2N2O3 MolecularWeight: 409.30628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NC2=C(C=CC(=C2)C(=O)OC)O

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NC2=C(C=CC(=C2)C(=O)OC)O

InChI

InChI=1S/C20H22Cl2N2O3/c1-14-11-17(24(9-7-21)10-8-22)5-3-16(14)13-23-18-12-15(20(26)27-2)4-6-19(18)25/h3-6,11-13,25H,7-10H2,1-2H3