ethyl (Z)-2-(1,3-benzodioxol-5-ylamino)-3-(2-iodanyl-4-nitro-phenyl)prop-2-enoate

Systemtic Name: ethyl (Z)-2-(1,3-benzodioxol-5-ylamino)-3-(2-iodanyl-4-nitro-phenyl)prop-2-enoate Openeye Name: ethyl (Z)-2-(1,3-benzodioxol-5-ylamino)-3-(2-iodo-4-nitro-phenyl)prop-2-enoate CAS Name: (Z)-2-(1,3-benzodioxol-5-ylamino)-3-(2-iodo-4-nitrophenyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-(1,3-benzodioxol-5-ylamino)-3-(2-iodo-4-nitrophenyl)prop-2-enoate Traditional Name: (Z)-2-(1,3-benzodioxol-5-ylamino)-3-(2-iodo-4-nitro-phenyl)acrylic acid ethyl ester Formula: C18H15IN2O6 MolecularWeight: 482.22597

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(C=C(C=C1)[N+](=O)[O-])I)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(C=C(C=C1)[N+](=O)[O-])I)/NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H15IN2O6/c1-2-25-18(22)15(7-11-3-5-13(21(23)24)9-14(11)19)20-12-4-6-16-17(8-12)27-10-26-16/h3-9,20H,2,10H2,1H3/b15-7-