4-chloranyl-7-nitro-3-phenylmethoxy-isochromen-1-one

Systemtic Name: 4-chloranyl-7-nitro-3-phenylmethoxy-isochromen-1-one Openeye Name: 3-benzyloxy-4-chloro-7-nitro-isochromen-1-one CAS Name: 4-chloro-7-nitro-3-phenylmethoxy-2-benzopyran-1-one IUPAC Name: 4-chloro-7-nitro-3-phenylmethoxyisochromen-1-one Traditional Name: 3-benzoxy-4-chloro-7-nitro-isocoumarin Formula: C16H10ClNO5 MolecularWeight: 331.7073

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2)Cl

InChI

InChI=1S/C16H10ClNO5/c17-14-12-7-6-11(18(20)21)8-13(12)15(19)23-16(14)22-9-10-4-2-1-3-5-10/h1-8H,9H2