6-chloranyl-4-methyl-3-(phenylmethyl)-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-2-one

Systemtic Name: 6-chloranyl-4-methyl-3-(phenylmethyl)-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-2-one Openeye Name: 3-benzyl-6-chloro-4-methyl-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-2-one CAS Name: 6-chloro-4-methyl-3-(phenylmethyl)-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)-1-benzopyran-2-one IUPAC Name: 3-benzyl-6-chloro-4-methyl-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-2-one Traditional Name: 3-benzyl-6-chloro-4-methyl-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)coumarin Formula: C19H14ClN4O3- MolecularWeight: 381.79246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC3=NN=N[N-]3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC3=NN=N[N-]3)CC4=CC=CC=C4

InChI

InChI=1S/C19H14ClN4O3/c1-11-13-8-15(20)17(26-10-18-21-23-24-22-18)9-16(13)27-19(25)14(11)7-12-5-3-2-4-6-12/h2-6,8-9H,7,10H2,1H3/q-1