3-[(3-chloranyl-4-methyl-phenyl)amino]-2-[4-(6-nitro-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

Systemtic Name: 3-[(3-chloranyl-4-methyl-phenyl)amino]-2-[4-(6-nitro-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: 3-(3-chloro-4-methyl-anilino)-2-[4-(6-nitro-2-oxo-chromen-3-yl)thiazol-2-yl]prop-2-enenitrile CAS Name: 3-(3-chloro-4-methylanilino)-2-[4-(6-nitro-2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-2-propenenitrile IUPAC Name: 3-(3-chloro-4-methylanilino)-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: 3-(3-chloro-4-methyl-anilino)-2-[4-(2-keto-6-nitro-chromen-3-yl)thiazol-2-yl]acrylonitrile Formula: C22H13ClN4O4S MolecularWeight: 464.88102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O)Cl

InChI

InChI=1S/C22H13ClN4O4S/c1-12-2-3-15(8-18(12)23)25-10-14(9-24)21-26-19(11-32-21)17-7-13-6-16(27(29)30)4-5-20(13)31-22(17)28/h2-8,10-11,25H,1H3