4-[(3-chloranyl-4-methyl-phenyl)amino]-3-nitro-chromen-2-one

Systemtic Name: 4-[(3-chloranyl-4-methyl-phenyl)amino]-3-nitro-chromen-2-one Openeye Name: 4-(3-chloro-4-methyl-anilino)-3-nitro-chromen-2-one CAS Name: 4-(3-chloro-4-methylanilino)-3-nitro-1-benzopyran-2-one IUPAC Name: 4-(3-chloro-4-methylanilino)-3-nitrochromen-2-one Traditional Name: 4-(3-chloro-4-methyl-anilino)-3-nitro-coumarin Formula: C16H11ClN2O4 MolecularWeight: 330.72254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H11ClN2O4/c1-9-6-7-10(8-12(9)17)18-14-11-4-2-3-5-13(11)23-16(20)15(14)19(21)22/h2-8,18H,1H3