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

Systemtic Name: 2-methoxyethyl 6,11-bis(oxidanylidene)-2-pyridin-4-yl-naphtho[2,3-b]indolizine-12-carboxylate hydrate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester hydrate IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester hydrate Formula: C25H20N2O6 MolecularWeight: 444.4361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18N2O5.H2O/c1-31-12-13-32-25(30)20-19-14-16(15-6-9-26-10-7-15)8-11-27(19)22-21(20)23(28)17-4-2-3-5-18(17)24(22)29;/h2-11,14H,12-13H2,1H3;1H2