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

Systemtic Name: 4-[(4-iodanyl-2-methyl-phenyl)amino]-3-nitro-chromen-2-one Openeye Name: 4-(4-iodo-2-methyl-anilino)-3-nitro-chromen-2-one CAS Name: 4-(4-iodo-2-methylanilino)-3-nitro-1-benzopyran-2-one IUPAC Name: 4-(4-iodo-2-methylanilino)-3-nitrochromen-2-one Traditional Name: 4-(4-iodo-2-methyl-anilino)-3-nitro-coumarin Formula: C16H11IN2O4 MolecularWeight: 422.17401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11IN2O4/c1-9-8-10(17)6-7-12(9)18-14-11-4-2-3-5-13(11)23-16(20)15(14)19(21)22/h2-8,18H,1H3