methanol; N-(10-methoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)ethanamide; hydrate

Systemtic Name: methanol; N-(10-methoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)ethanamide; hydrate Openeye Name: methanol; N-(10-methoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide; hydrate CAS Name: methanol; N-(10-methoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide; hydrate IUPAC Name: methanol; N-(10-methoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide; hydrate Traditional Name: N-(9-keto-10-methoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide; methanol; hydrate Formula: C21H29NO6 MolecularWeight: 391.45806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC=CC=C2C3=CC=C(C(=O)C=C13)OC.CO.CO.O

Isomeric SMILES

CC(=O)NC1CCC2=CC=CC=C2C3=CC=C(C(=O)C=C13)OC.CO.CO.O

InChI

InChI=1S/C19H19NO3.2CH4O.H2O/c1-12(21)20-17-9-7-13-5-3-4-6-14(13)15-8-10-19(23-2)18(22)11-16(15)17;2*1-2;/h3-6,8,10-11,17H,7,9H2,1-2H3,(H,20,21);2*2H,1H3;1H2