1-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]-3-(3-nitrophenoxy)propan-2-ol

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]-3-(3-nitrophenoxy)propan-2-ol Openeye Name: 1-[allyl-[(5-chloro-2-thienyl)methyl]amino]-3-(3-nitrophenoxy)propan-2-ol CAS Name: 1-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-3-(3-nitrophenoxy)-2-propanol IUPAC Name: 1-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-3-(3-nitrophenoxy)propan-2-ol Traditional Name: 1-[allyl-[(5-chloro-2-thienyl)methyl]amino]-3-(3-nitrophenoxy)propan-2-ol Formula: C17H19ClN2O4S MolecularWeight: 382.86176

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Cl)CC(COC2=CC=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Cl)CC(COC2=CC=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H19ClN2O4S/c1-2-8-19(11-16-6-7-17(18)25-16)10-14(21)12-24-15-5-3-4-13(9-15)20(22)23/h2-7,9,14,21H,1,8,10-12H2