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

Systemtic Name: 2-[4-(6-nitro-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(2-nitrophenyl)amino]prop-2-enenitrile Openeye Name: 3-(2-nitroanilino)-2-[4-(6-nitro-2-oxo-chromen-3-yl)thiazol-2-yl]prop-2-enenitrile CAS Name: 3-(2-nitroanilino)-2-[4-(6-nitro-2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-2-propenenitrile IUPAC Name: 3-(2-nitroanilino)-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: 2-[4-(2-keto-6-nitro-chromen-3-yl)thiazol-2-yl]-3-(2-nitroanilino)acrylonitrile Formula: C21H11N5O6S MolecularWeight: 461.40694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H11N5O6S/c22-9-13(10-23-16-3-1-2-4-18(16)26(30)31)20-24-17(11-33-20)15-8-12-7-14(25(28)29)5-6-19(12)32-21(15)27/h1-8,10-11,23H