N-[(Z)-[4-(2,4-dinitrophenoxy)-3-methoxy-phenyl]methylideneamino]-1,3-benzothiazol-2-amine

Systemtic Name: N-[(Z)-[4-(2,4-dinitrophenoxy)-3-methoxy-phenyl]methylideneamino]-1,3-benzothiazol-2-amine Openeye Name: N-[(Z)-[4-(2,4-dinitrophenoxy)-3-methoxy-phenyl]methyleneamino]-1,3-benzothiazol-2-amine CAS Name: N-[(Z)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-1,3-benzothiazol-2-amine IUPAC Name: N-[(Z)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[(Z)-[4-(2,4-dinitrophenoxy)-3-methoxy-benzylidene]amino]amine Formula: C21H15N5O6S MolecularWeight: 465.4387

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC2=NC3=CC=CC=C3S2)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N\NC2=NC3=CC=CC=C3S2)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O6S/c1-31-19-10-13(12-22-24-21-23-15-4-2-3-5-20(15)33-21)6-8-18(19)32-17-9-7-14(25(27)28)11-16(17)26(29)30/h2-12H,1H3,(H,23,24)/b22-12-