(5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]methanone

Systemtic Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]methanone Openeye Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone CAS Name: (5-ethoxy-4-methoxy-2-nitrophenyl)-[4-(1-phenyl-5-tetrazolyl)-1-piperazinyl]methanone IUPAC Name: (5-ethoxy-4-methoxy-2-nitrophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone Traditional Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-(1-phenyltetrazol-5-yl)piperazino]methanone Formula: C21H23N7O5 MolecularWeight: 453.45122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H23N7O5/c1-3-33-19-13-16(17(28(30)31)14-18(19)32-2)20(29)25-9-11-26(12-10-25)21-22-23-24-27(21)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3