6-chloranyl-7-[3-[(naphthalen-1-ylcarbamoylamino)methyl]pyrrol-1-yl]-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid

Systemtic Name: 6-chloranyl-7-[3-[(naphthalen-1-ylcarbamoylamino)methyl]pyrrol-1-yl]-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid Openeye Name: 6-chloro-7-[3-[(1-naphthylcarbamoylamino)methyl]pyrrol-1-yl]-3-oxo-4H-quinoxaline-2-carboxylic acid CAS Name: 6-chloro-7-[3-[[[(1-naphthalenylamino)-oxomethyl]amino]methyl]-1-pyrrolyl]-3-oxo-4H-quinoxaline-2-carboxylic acid IUPAC Name: 6-chloro-7-[3-[(naphthalen-1-ylcarbamoylamino)methyl]pyrrol-1-yl]-3-oxo-4H-quinoxaline-2-carboxylic acid Traditional Name: 6-chloro-3-keto-7-[3-[(1-naphthylcarbamoylamino)methyl]pyrrol-1-yl]-4H-quinoxaline-2-carboxylic acid Formula: C25H18ClN5O4 MolecularWeight: 487.89452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=O)NCC3=CN(C=C3)C4=C(C=C5C(=C4)N=C(C(=O)N5)C(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)NCC3=CN(C=C3)C4=C(C=C5C(=C4)N=C(C(=O)N5)C(=O)O)Cl

InChI

InChI=1S/C25H18ClN5O4/c26-17-10-19-20(28-22(24(33)34)23(32)29-19)11-21(17)31-9-8-14(13-31)12-27-25(35)30-18-7-3-5-15-4-1-2-6-16(15)18/h1-11,13H,12H2,(H,29,32)(H,33,34)(H2,27,30,35)