N-[3-(2-bromoethyloxy)-4-chloranyl-1-oxidanylidene-isochromen-7-yl]-3-nitro-benzamide

Systemtic Name: N-[3-(2-bromoethyloxy)-4-chloranyl-1-oxidanylidene-isochromen-7-yl]-3-nitro-benzamide Openeye Name: N-[3-(2-bromoethoxy)-4-chloro-1-oxo-isochromen-7-yl]-3-nitro-benzamide CAS Name: N-[3-(2-bromoethoxy)-4-chloro-1-oxo-2-benzopyran-7-yl]-3-nitrobenzamide IUPAC Name: N-[3-(2-bromoethoxy)-4-chloro-1-oxoisochromen-7-yl]-3-nitrobenzamide Traditional Name: N-[3-(2-bromoethoxy)-4-chloro-1-keto-isochromen-7-yl]-3-nitro-benzamide Formula: C18H12BrClN2O6 MolecularWeight: 467.65468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)C(=C(OC3=O)OCCBr)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)C(=C(OC3=O)OCCBr)Cl

InChI

InChI=1S/C18H12BrClN2O6/c19-6-7-27-18-15(20)13-5-4-11(9-14(13)17(24)28-18)21-16(23)10-2-1-3-12(8-10)22(25)26/h1-5,8-9H,6-7H2,(H,21,23)