N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-(2-morpholino-4-phenyl-thiazol-5-yl)methyleneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-[2-(4-morpholinyl)-4-phenyl-5-thiazolyl]methylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-(2-morpholino-4-phenyl-thiazol-5-yl)methyleneamino]amine Formula: C20H18N6O5S MolecularWeight: 454.45912

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=C(S2)C=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=NC(=C(S2)/C=N/NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H18N6O5S/c27-25(28)15-6-7-16(17(12-15)26(29)30)23-21-13-18-19(14-4-2-1-3-5-14)22-20(32-18)24-8-10-31-11-9-24/h1-7,12-13,23H,8-11H2/b21-13+