methyl 4-methyl-2-[(4-nitro-9H-xanthen-9-yl)amino]pentanoate

Systemtic Name: methyl 4-methyl-2-[(4-nitro-9H-xanthen-9-yl)amino]pentanoate Openeye Name: methyl 4-methyl-2-[(4-nitro-9H-xanthen-9-yl)amino]pentanoate CAS Name: 4-methyl-2-[(4-nitro-9H-xanthen-9-yl)amino]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(4-nitro-9H-xanthen-9-yl)amino]pentanoate Traditional Name: 4-methyl-2-[(4-nitro-9H-xanthen-9-yl)amino]valeric acid methyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC1C2=C(C(=CC=C2)[N+](=O)[O-])OC3=CC=CC=C13

Isomeric SMILES

CC(C)CC(C(=O)OC)NC1C2=C(C(=CC=C2)[N+](=O)[O-])OC3=CC=CC=C13

InChI

InChI=1S/C20H22N2O5/c1-12(2)11-15(20(23)26-3)21-18-13-7-4-5-10-17(13)27-19-14(18)8-6-9-16(19)22(24)25/h4-10,12,15,18,21H,11H2,1-3H3