3-[bis(2-chloroethyl)aminomethyl]-N-(2,4-dinitrophenyl)-4-methoxy-aniline

Systemtic Name: 3-[bis(2-chloroethyl)aminomethyl]-N-(2,4-dinitrophenyl)-4-methoxy-aniline Openeye Name: 3-[bis(2-chloroethyl)aminomethyl]-N-(2,4-dinitrophenyl)-4-methoxy-aniline CAS Name: 3-[bis(2-chloroethyl)aminomethyl]-N-(2,4-dinitrophenyl)-4-methoxyaniline IUPAC Name: 3-[bis(2-chloroethyl)aminomethyl]-N-(2,4-dinitrophenyl)-4-methoxyaniline Traditional Name: bis(2-chloroethyl)-[5-(2,4-dinitroanilino)-2-methoxy-benzyl]amine Formula: C18H20Cl2N4O5 MolecularWeight: 443.2812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CN(CCCl)CCCl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CN(CCCl)CCCl

InChI

InChI=1S/C18H20Cl2N4O5/c1-29-18-5-2-14(10-13(18)12-22(8-6-19)9-7-20)21-16-4-3-15(23(25)26)11-17(16)24(27)28/h2-5,10-11,21H,6-9,12H2,1H3