nitrobenzene; 7-prop-2-ynoxychromen-2-one

Systemtic Name: nitrobenzene; 7-prop-2-ynoxychromen-2-one Openeye Name: nitrobenzene; 7-prop-2-ynoxychromen-2-one CAS Name: nitrobenzene; 7-prop-2-ynoxy-1-benzopyran-2-one IUPAC Name: nitrobenzene; 7-prop-2-ynoxychromen-2-one Traditional Name: nitrobenzene; 7-propargyloxycoumarin Formula: C18H13NO5 MolecularWeight: 323.29952

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC2=C(C=C1)C=CC(=O)O2.C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C#CCOC1=CC2=C(C=C1)C=CC(=O)O2.C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H8O3.C6H5NO2/c1-2-7-14-10-5-3-9-4-6-12(13)15-11(9)8-10;8-7(9)6-4-2-1-3-5-6/h1,3-6,8H,7H2;1-5H