3-[[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]methyl]-5-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]methyl]-5-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[[allyl-[(5-chloro-2-thienyl)methyl]amino]methyl]-5-nitro-1,3-benzoxazol-2-one CAS Name: 3-[[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]methyl]-5-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-5-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[[allyl-[(5-chloro-2-thienyl)methyl]amino]methyl]-5-nitro-1,3-benzoxazol-2-one Formula: C16H14ClN3O4S MolecularWeight: 379.81806

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Cl)CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Cl)CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C16H14ClN3O4S/c1-2-7-18(9-12-4-6-15(17)25-12)10-19-13-8-11(20(22)23)3-5-14(13)24-16(19)21/h2-6,8H,1,7,9-10H2