aziridin-1-yl-[3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]methanone hydrate

Systemtic Name: aziridin-1-yl-[3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]methanone hydrate Openeye Name: aziridin-1-yl-[3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]methanone hydrate CAS Name: 1-aziridinyl-[3-[bis(2-chloroethyl)amino]-4-methylphenyl]methanone hydrate IUPAC Name: aziridin-1-yl-[3-[bis(2-chloroethyl)amino]-4-methylphenyl]methanone hydrate Traditional Name: [3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]-ethylenimino-methanone hydrate Formula: C14H20Cl2N2O2 MolecularWeight: 319.2268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC2)N(CCCl)CCCl.O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC2)N(CCCl)CCCl.O

InChI

InChI=1S/C14H18Cl2N2O.H2O/c1-11-2-3-12(14(19)18-8-9-18)10-13(11)17(6-4-15)7-5-16;/h2-3,10H,4-9H2,1H3;1H2