N-[(4-ethoxy-3-methoxy-5-prop-2-enyl-phenyl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine hydrochloride

Systemtic Name: N-[(4-ethoxy-3-methoxy-5-prop-2-enyl-phenyl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine hydrochloride Openeye Name: N-[(3-allyl-4-ethoxy-5-methoxy-phenyl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine hydrochloride CAS Name: N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine hydrochloride IUPAC Name: N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine hydrochloride Traditional Name: (3-allyl-4-ethoxy-5-methoxy-benzyl)-[2-(4-nitroanilino)ethyl]amine hydrochloride Formula: C21H28ClN3O4 MolecularWeight: 421.91772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1OC)CNCCNC2=CC=C(C=C2)[N+](=O)[O-])CC=C.Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1OC)CNCCNC2=CC=C(C=C2)[N+](=O)[O-])CC=C.Cl

InChI

InChI=1S/C21H27N3O4.ClH/c1-4-6-17-13-16(14-20(27-3)21(17)28-5-2)15-22-11-12-23-18-7-9-19(10-8-18)24(25)26;/h4,7-10,13-14,22-23H,1,5-6,11-12,15H2,2-3H3;1H