ethyl (2S)-2-[[1-nitro-9,10-bis(oxidanylidene)anthracen-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[[1-nitro-9,10-bis(oxidanylidene)anthracen-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[(1-nitro-9,10-dioxo-anthracene-2-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(1-nitro-9,10-dioxo-2-anthracenyl)-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(1-nitro-9,10-dioxoanthracene-2-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(9,10-diketo-1-nitro-anthracene-2-carbonyl)amino]-3-phenyl-propionic acid ethyl ester Formula: C26H20N2O7 MolecularWeight: 472.4462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C26H20N2O7/c1-2-35-26(32)20(14-15-8-4-3-5-9-15)27-25(31)19-13-12-18-21(22(19)28(33)34)24(30)17-11-7-6-10-16(17)23(18)29/h3-13,20H,2,14H2,1H3,(H,27,31)/t20-/m0/s1