(E)-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]-3-(3-nitrophenyl)prop-2-en-1-one Formula: C20H17N5O5S MolecularWeight: 439.44448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O5S/c26-19(7-4-14-2-1-3-15(12-14)24(27)28)22-8-10-23(11-9-22)20-21-17-6-5-16(25(29)30)13-18(17)31-20/h1-7,12-13H,8-11H2/b7-4+