prop-2-enyl 6,11-bis(oxidanylidene)-2-pyridin-4-yl-naphtho[2,3-b]indolizine-12-carboxylate hydrate

Systemtic Name: prop-2-enyl 6,11-bis(oxidanylidene)-2-pyridin-4-yl-naphtho[2,3-b]indolizine-12-carboxylate hydrate Openeye Name: allyl 6,11-dioxo-2-(4-pyridyl)naphtho[2,3-b]indolizine-12-carboxylate hydrate CAS Name: 6,11-dioxo-2-pyridin-4-yl-12-naphtho[2,3-b]indolizinecarboxylic acid prop-2-enyl ester hydrate IUPAC Name: prop-2-enyl 6,11-dioxo-2-pyridin-4-ylnaphtho[2,3-b]indolizine-12-carboxylate hydrate Traditional Name: 6,11-diketo-2-(4-pyridyl)naphth[2,3-b]indolizine-12-carboxylic acid allyl ester hydrate Formula: C25H18N2O5 MolecularWeight: 426.42082

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1=C2C=C(C=CN2C3=C1C(=O)C4=CC=CC=C4C3=O)C5=CC=NC=C5.O

Isomeric SMILES

C=CCOC(=O)C1=C2C=C(C=CN2C3=C1C(=O)C4=CC=CC=C4C3=O)C5=CC=NC=C5.O

InChI

InChI=1S/C25H16N2O4.H2O/c1-2-13-31-25(30)20-19-14-16(15-7-10-26-11-8-15)9-12-27(19)22-21(20)23(28)17-5-3-4-6-18(17)24(22)29;/h2-12,14H,1,13H2;1H2