4-[[4-[bis(2-chloroethyl)amino]-3-methoxy-phenyl]methylideneamino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[4-[bis(2-chloroethyl)amino]-3-methoxy-phenyl]methylideneamino]-2-oxidanyl-benzoic acid Openeye Name: 4-[[4-[bis(2-chloroethyl)amino]-3-methoxy-phenyl]methyleneamino]-2-hydroxy-benzoic acid CAS Name: 4-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]methylideneamino]-2-hydroxybenzoic acid IUPAC Name: 4-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]methylideneamino]-2-hydroxybenzoic acid Traditional Name: 4-[[4-[bis(2-chloroethyl)amino]-3-methoxy-benzylidene]amino]-2-hydroxy-benzoic acid Formula: C19H20Cl2N2O4 MolecularWeight: 411.2791

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NC2=CC(=C(C=C2)C(=O)O)O)N(CCCl)CCCl

Isomeric SMILES

COC1=C(C=CC(=C1)C=NC2=CC(=C(C=C2)C(=O)O)O)N(CCCl)CCCl

InChI

InChI=1S/C19H20Cl2N2O4/c1-27-18-10-13(2-5-16(18)23(8-6-20)9-7-21)12-22-14-3-4-15(19(25)26)17(24)11-14/h2-5,10-12,24H,6-9H2,1H3,(H,25,26)