[[(Z)-1-(5-nitro-1,2,3,4-tetrazol-2-yl)prop-1-en-2-yl]amino] 4-methylbenzoate

Systemtic Name: [[(Z)-1-(5-nitro-1,2,3,4-tetrazol-2-yl)prop-1-en-2-yl]amino] 4-methylbenzoate Openeye Name: [[(Z)-1-methyl-2-(5-nitrotetrazol-2-yl)vinyl]amino] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [[(Z)-1-(5-nitro-2-tetrazolyl)prop-1-en-2-yl]amino] ester IUPAC Name: [[(Z)-1-(5-nitrotetrazol-2-yl)prop-1-en-2-yl]amino] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [[(Z)-1-methyl-2-(5-nitrotetrazol-2-yl)vinyl]amino] ester Formula: C12H12N6O4 MolecularWeight: 304.26148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)ONC(=CN2N=C(N=N2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)ON/C(=C\N2N=C(N=N2)[N+](=O)[O-])/C

InChI

InChI=1S/C12H12N6O4/c1-8-3-5-10(6-4-8)11(19)22-15-9(2)7-17-14-12(13-16-17)18(20)21/h3-7,15H,1-2H3/b9-7-