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

Systemtic Name: propan-2-yl 6,11-bis(oxidanylidene)-2-pyridin-4-yl-naphtho[2,3-b]indolizine-12-carboxylate hydrate Openeye Name: isopropyl 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 propan-2-yl ester hydrate IUPAC Name: propan-2-yl 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 isopropyl ester hydrate Formula: C25H20N2O5 MolecularWeight: 428.4367

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18N2O4.H2O/c1-14(2)31-25(30)20-19-13-16(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;/h3-14H,1-2H3;1H2