(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: (1-phenyltetrazol-5-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C17H13N5O4 MolecularWeight: 351.31622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)COC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)COC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O4/c23-17(10-9-13-5-4-8-15(11-13)22(24)25)26-12-16-18-19-20-21(16)14-6-2-1-3-7-14/h1-11H,12H2/b10-9+