4-methyl-3-[(4-nitrophenyl)methyl]-5,7-bis(2H-1,2,3,4-tetrazol-5-ylmethoxy)chromen-2-one

Systemtic Name: 4-methyl-3-[(4-nitrophenyl)methyl]-5,7-bis(2H-1,2,3,4-tetrazol-5-ylmethoxy)chromen-2-one Openeye Name: 4-methyl-3-[(4-nitrophenyl)methyl]-5,7-bis(2H-tetrazol-5-ylmethoxy)chromen-2-one CAS Name: 4-methyl-3-[(4-nitrophenyl)methyl]-5,7-bis(2H-tetrazol-5-ylmethoxy)-1-benzopyran-2-one IUPAC Name: 4-methyl-3-[(4-nitrophenyl)methyl]-5,7-bis(2H-tetrazol-5-ylmethoxy)chromen-2-one Traditional Name: 4-methyl-3-(4-nitrobenzyl)-5,7-bis(2H-tetrazol-5-ylmethoxy)coumarin Formula: C21H17N9O6 MolecularWeight: 491.41638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=CC(=C12)OCC3=NNN=N3)OCC4=NNN=N4)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=CC(=C12)OCC3=NNN=N3)OCC4=NNN=N4)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H17N9O6/c1-11-15(6-12-2-4-13(5-3-12)30(32)33)21(31)36-17-8-14(34-9-18-22-26-27-23-18)7-16(20(11)17)35-10-19-24-28-29-25-19/h2-5,7-8H,6,9-10H2,1H3,(H,22,23,26,27)(H,24,25,28,29)